>compound S-Carboxymethyl-L-cysteine_S-Carboxymethyl-L-cysteine
#instrument UPLC Q-Tof Premier, Waters
>formula C5H9NO4S
#smiles OC(=O)C(N)CSCC(O)=O
#RECORD LC-ESI-QTOF_train_data/PR100199.txt
>charge 1
>ionization [M+H]+
>parentmass 180.03303

>collision 5-60
61.0127 21.22
74.008 16.77
88.0238 22.51
89.0066 81.46
117.0023 22.58
134.0294 25.83
163.0085 59.97
180.033 23.99

